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CHEBI:57473 - 3'-demethylstaurosporinium(1+)

ChEBI IDCHEBI:57473
ChEBI Name3'-demethylstaurosporinium(1+)
Stars
DefinitionConjugate acid of 3'-demethylstaurosporine.
Last Modified13 November 2017
DownloadsMolfile
FormulaC27H25N4O3
Net Charge+1
Average Mass453.522
Monoisotopic Mass453.19212
SMILESC[NH2+][C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
InChIInChI=1S/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)/p+1/t16-,19-,25-,27+/m1/s1
InChIKeyYFYYWLWHOINTHH-FCHZLITKSA-O
ChEBI Ontology
Outgoing Relation(s)
3'-demethylstaurosporinium(1+) (CHEBI:57473) is a ammonium ion derivative (CHEBI:35274)
3'-demethylstaurosporinium(1+) (CHEBI:57473) is conjugate acid of 3'-demethylstaurosporine (CHEBI:15692)
Incoming Relation(s)
3'-demethylstaurosporine (CHEBI:15692) is conjugate base of 3'-demethylstaurosporinium(1+) (CHEBI:57473)
IUPAC Name 
(5S,6R,7R,9R)-6-hydroxy-N,5-dimethyl-14-oxo-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-7-aminium
Synonyms  Source
3'-demethylstaurosporinium cationChEBI
(5S,6R,7R,9R)-6-hydroxy-5-methyl-7-methylazaniumyl-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-oneChEBI
UniProt Name  Source
3'-demethylstaurosporineUniProt